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«Phenobarbital»
Phenobarbital
CSA Names: Phenobarbital
CSA Location: Schedule IV Section (c) Subsection (44) DEA code 2285
CSA History: Scheduled in the original CSA of 1970
Names: 5-Ethyl-5-phenyl-barbituric acid (IUPAC traditional)
5-Ethyl-5-phenyl-1,3-diazinane-2,4,6-trione (IUPAC preferred; IUPAC systematic)
5-Ethyl-5-phenyl-hexahydropyrimidine-2,4,6-trione (IUPAC allowed)
5-Ethyl-5-phenylhexahydropyrimidine-2,4,6-trione (IUPAC CAS-like)
5-Ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione (IUPAC ACD/Name)
Molecular formula: C12H12N2O3
Nominal mass: 232
Average mass: 232.2353
Monoisotopic mass: 232.084792
CAS registry number: 50-06-6
ChemSpider: 4599
PubChem: 4763
Wikipedia: Phenobarbital
Erowid: Barbiturates
Standard InChI: InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)
Standard InChIKey: DDBREPKUVSBGFI-UHFFFAOYSA-N
SMILES: CCC1(c2ccccc2)C(=NC(=O)N=C1O)O
Tags: USCSA
 
Property Value Remarks
Property Value Remarks
Location Type Remarks
phenobarbital atr.pdf ATR IR Thermo Nicolet
phenobarbital.pdf EI MS Agilent MSD
Phenobarbital IRD.bmp GC IRD Used with Permission of Oklahoma State Bureau of Investigation, Forensic Science Center, Controlled Substances Laboratory.
phenobarbital-IRD.jdx infrared spectrum NIST Standard Reference Data Program Collection (C) 2009 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
phenobarbital-Mass.jdx mass spectrum NIST Mass Spectrometry Data Center Collection (C) 2008 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
phenobarbital-raman.pdf Raman GBI DOFS
Vendor ID URL
Cerilliant P-008 http://www.cerilliant.com/shoponline/Item_Details.aspx?itemno=427ffcaf-8419-4d5f-b9a5-4e5fa4fbffd9
Grace Davison (Alltech) 01626 http://www.discoverysciences.com/uploadedFiles/Library/Technical_Literature/Brochures/B505A_Drug_Catalog_LR_04_17_09.pdf
Lipomed PHB-376-FA http://www.lipomed.com/diagnostics/ref/?PHB-376-FA
Sigma Aldrich P1636 http://www.sigmaaldrich.com/catalog/ProductDetail.do?lang=en&N4=P1636|SIGMA&N5=SEARCH_CONCAT_PNO|BRAND_KEY&F=SPEC
Sigma Aldrich P5178 http://www.sigmaaldrich.com/catalog/ProductDetail.do?lang=en&N4=P5178|SIGMA&N5=SEARCH_CONCAT_PNO|BRAND_KEY&F=SPEC
Toronto Research Chemicals P316760 http://www.trc-canada.com/detail.php?CatNum=P316760
U.S. Pharmacopeia 1524001 http://store.usp.org/OA_HTML/ibeCCtpItmDspRte.jsp?a=b&item=19333
Title Publication Date Vol. Iss. Page(s) Remarks
Title Publication Date Vol. Iss. Page(s) Remarks
Database ID URL
SWGDRUG Mass Spectral Library 1974 http://www.swgdrug.org/ms.htm
Clarke's Analysis of Drugs and Poisons 3rd Edition Pg 1431
Mass Spectra of Designer Drugs 2010
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Substance name
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